Geometry & MOs

Info

ID:	86789
PubChem CID:	49889335
Reduced:	NSCl3O5H16C25 (1)
Stoich.:	ABC3D5E16F25 (1)
Weight, g/mol:	401.073322
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	8.99
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations